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CHEBI:201365 - 29-N-demethylparaherquamide K

ChEBI IDCHEBI:201365
ChEBI Name29-N-demethylparaherquamide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O4
Net Charge0
Average Mass461.562
Monoisotopic Mass461.23146
SMILESC[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)NC3=O)C(=O)Nc1c5ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C27H31N3O4/c1-14-10-26-11-18-24(4,5)27(12-25(18,29-21(26)32)13-30(26)20(14)31)16-6-7-17-15(19(16)28-22(27)33)8-9-23(2,3)34-17/h6-9,14,18H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,18+,25-,26+,27-/m1/s1
InChIKeyQGPWJMZTCLHZLO-JGGMKHMHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus duricaulis (ncbitaxon:75552) - PubMed (26517152)
ChEBI Ontology
Outgoing Relation(s)
29-N-demethylparaherquamide K (CHEBI:201365) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,3R,5'R,7'R,9'S)-5',7,7,10',10'-pentamethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,4',14'-trione
Manual XrefsDatabases
58919004ChemSpider